Geometry & MOs

Info

ID:

443400

PubChem CID:

135258862

Reduced:

ON3H31C53 (1)

Stoich.:

AB3C31D53 (1)

Weight, g/mol:

1018.229232

ΔHf, kcal/mol:

241.33

Dipole, Da:

2.99

IP(EA), eV:

 -8.39(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,8-bis[5-[4-(1,2,2-triphenylethenyl)phenyl]thiophen-2-yl]-5lambda4,11lambda4-dithia-4,6,10,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,5,7,10,11-heptaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC=CC=C3)N4C5=C(C6=C4C7=C(C=C6)C8(C9=CC=CC=C9C1=CC=CC=C18)C1=CC=CC=C17)C1=C(C=C5)OC2=CC=CC=C21

DOS

IR

Vibrations